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Target
Angiotensin-converting enzyme 2
Ligand
BDBM52871
Substrate
n/a
Meas. Tech.
ChEMBL_462458 (CHEMBL928323)
IC50
62000±n/a nM
Citation
 Deaton, DN; Graham, KP; Gross, JW; Miller, AB Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett 18:1681-7 (2008) [PubMed]  Article 
Target
Name:
Angiotensin-converting enzyme 2
Synonyms:
ACE-related carboxypeptidase | ACE2 | ACE2_HUMAN | ACEH | Angiotensin-converting enzyme homolog | Angiotensin-converting enzyme-related carboxypeptidase | Metalloprotease MPROT15
Type:
Enzyme
Mol. Mass.:
92448.86
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
805
Sequence:
MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF
  
Inhibitor
Name:
BDBM52871
Synonyms:
(E)-3-[5-(5-Chloro-2-methyl-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid | (E)-3-[5-(5-chloranyl-2-methyl-phenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid | (E)-3-[5-(5-chloro-2-methyl-phenyl)-2-furyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid | (E)-3-[5-(5-chloro-2-methylphenyl)-2-furanyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid | (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid | CHEMBL252417 | MLS000778724 | SMR000415505 | cid_1382255
Type:
Small organic molecule
Emp. Form.:
C17H14ClN3O3S
Mol. Mass.:
375.829
SMILES:
Cc1nnc(SC(=Cc2ccc(o2)-c2cc(Cl)ccc2C)C(O)=O)[nH]1 |w:7.7|
Structure:
Search PDB for entries with ligand similarity: